3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile
TL;DR: 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile (CAS 3038-48-0) is a chemical compound with molecular formula C12H11FN2O and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2-(4-fluorobenzoyl)prop-2-enenitrile
Also Known As: 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile, 3-(dimethylamino)-2-(4-fluorobenzoyl)prop-2-enenitrile, 2-(Trifluoromethyl)phenylacetic acid, 2-(4-Fluorobenzoyl)-3-(dimethylamino)acrylonitrile, 2-(4-Fluorobenzoyl)-3-(dimethylamino)-acrylonitrile
| Molecular Formula | C12H11FN2O |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 1.97748 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.08554 |
| Heavy Atoms | 16 |
| Complexity | 454.90225 |
Chemical Identifiers
| CAS Number | 3038-48-0 |
|---|---|
| SMILES | CN(C)C=C(C#N)C(=O)C1=CC=C(C=C1)F |
Product Overview
3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile (CAS 3038-48-0), with molecular formula C12H11FN2O and molecular weight 218.09 g/mol. IUPAC: 3-(dimethylamino)-2-(4-fluorobenzoyl)prop-2-enenitrile.
Chemical Property Profile of 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile
Property Insights of 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile
The XLogP value of 1.97748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile?
The CAS number of 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile is 3038-48-0.
What is the molecular formula of 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile?
The molecular formula of 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile is C12H11FN2O.
What is the molecular weight of 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile?
The molecular weight of 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile is 218.09 g/mol.
Where can I buy 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile?
You can request a quote for 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-2-(4-fluorobenzoyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.